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Developments Of Epoxy Resin Database Application System And QSPR And Molecular Simulations Of Epoxy Resin Materials

Posted on:2007-01-05Degree:MasterType:Thesis
Country:ChinaCandidate:C X LiFull Text:PDF
GTID:2121360212959174Subject:Chemical Engineering
Abstract/Summary:PDF Full Text Request
Cured epoxy resins,as a majority of polymeric materials exhibit many excellent performances such as higher thermal and mechanical properties, which make them extensively used as coatings, adhesives and polymer composites in many chemical engineering industries fields. A great deal of experimental data about epoxy products is available in the literature. A problem arises as to how to manage these resources and to pick out useful information for research and development of epoxy compounds. This has been a new topic of research. Based on practical needs, a set of solution was put forward in this paper. First, a large epoxy resin database containing plenty of reliable data was established on SQL 2000 Server. Except that table"users"used for keeping users'logon information, others were used for epoxy information about epoxy resins, curing agents and formulations. Then an application based on Web was developed,which enables the users to easily browse, search, and edit the data through general Internet Explorer. The database and application program not only provide useful information for researchers but also can serve as an efficient advisement for the company and products. Furthermore, some advanced QSPR and molecular simulations were carried out on some epoxy resins as typical examples and built some fundamental structure-property relationship. These advanced techniques can reduce most waste in time, money etc for experimental optimizations and designs. In a word, this paper provides a new idea as how to improve the ability of research and development of epoxy resins, which has the potential to be extensively employed in the molecular design of epoxy products in the not-too-far future.
Keywords/Search Tags:Epoxy resin, Curing agent, Database, QSPR, Molecular simulation
PDF Full Text Request
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